N-[(1R,2S)-2-methylcyclohexyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide

C13H19N3O4 — CID 7756880

IUPACN-[(1R,2S)-2-methylcyclohexyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)CN1C(=O)C(=O)N(C)C1=O
InChIInChI=1S/C13H19N3O4/c1-8-5-3-4-6-9(8)14-10(17)7-16-12(19)11(18)15(2)13(16)20/h8-9H,3-7H2,1-2H3,(H,14,17)/t8-,9+/m0/s1
InChIKeyXCOYSUSJROGWRN-DTWKUNHWSA-N
MW281.31 g/mol
LogP0.10
Rot. Bonds3

About N-[(1R,2S)-2-methylcyclohexyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide

N-[(1R,2S)-2-methylcyclohexyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide (PubChem CID 7756880) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-[(1R,2S)-2-methylcyclohexyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-methylcyclohexyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
PubChem CID7756880
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC NameN-[(1R,2S)-2-methylcyclohexyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)CN1C(=O)C(=O)N(C)C1=O
InChIInChI=1S/C13H19N3O4/c1-8-5-3-4-6-9(8)14-10(17)7-16-12(19)11(18)15(2)13(16)20/h8-9H,3-7H2,1-2H3,(H,14,17)/t8-,9+/m0/s1
InChIKeyXCOYSUSJROGWRN-DTWKUNHWSA-N
XLogP0.10
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 11930479
2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 11919445
2-(1,3-dioxoisoindol-2-yl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7777606
N-[(2-methylcyclohexyl)carbamoyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 42900503
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 11920002
N-[(1R,2S)-2-methylcyclohexyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 1439119
3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(1S,2R)-2-methylcyclohexyl]propanamide
CID 100624051
2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 124729977
2-(1,2-dimethyl-3-oxopyrido[3,2-e][1,2,4]triazin-4-yl)-N-(2-methylcyclohexyl)acetamide
CID 110214253
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methylcyclohexyl)acetamide
CID 17433534
2-[4-(methylamino)piperidin-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 119923766
N-[(1S,2S)-2-methylcyclohexyl]-2-piperazin-1-ylacetamide
CID 28881157

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-methylcyclohexyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-[(1R,2S)-2-methylcyclohexyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide (CID 7756880) is N-[(1R,2S)-2-methylcyclohexyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[(1R,2S)-2-methylcyclohexyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[(1R,2S)-2-methylcyclohexyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide is C[C@H]1CCCC[C@H]1NC(=O)CN1C(=O)C(=O)N(C)C1=O.
What is the InChIKey of N-[(1R,2S)-2-methylcyclohexyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
The InChIKey is XCOYSUSJROGWRN-DTWKUNHWSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-8-5-3-4-6-9(8)14-10(17)7-16-12(19)11(18)15(2)13(16)20/h8-9H,3-7H2,1-2H3,(H,14,17)/t8-,9+/m0/s1.
What are the key properties of N-[(1R,2S)-2-methylcyclohexyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
N-[(1R,2S)-2-methylcyclohexyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide has a molecular weight of 281.31 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-methylcyclohexyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 7756880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).